Geometry

Info

ID:

8253

ICSD:

36535

Name:

Thallium copper(I) copper(II) oxide

Comp.:

Cu2O2Tl1

Symm.:

Imma(74)

Latt.:

orthorhombic

Spin:

3.829

Eg/Eg':

1.075/None eV

me/mh:

7.811/-11.440

K-data

high symmetry path:

R - G - X - S - W - T

high symmetry points:

G: 0.0 0.0 0.0 S: 0.5 0.0 -0.5 R: 0.5 0.0 0.0 T: 0.5 -0.5 0.0 W: 0.75 -0.25 -0.25 X: 0.5 0.5 -0.5

DOS

Bands